N-[2-(sulfanylsulfamoyl)ethoxy]formamide

C3H8N2O4S2 — CID 170197818

IUPACN-[2-(sulfanylsulfamoyl)ethoxy]formamide
SMILESO=CNOCCS(=O)(=O)NS
InChIInChI=1S/C3H8N2O4S2/c6-3-4-9-1-2-11(7,8)5-10/h3,5,10H,1-2H2,(H,4,6)
InChIKeyWLDQWEFZDULQID-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.57
Rot. Bonds6

About N-[2-(sulfanylsulfamoyl)ethoxy]formamide

N-[2-(sulfanylsulfamoyl)ethoxy]formamide (PubChem CID 170197818) has the molecular formula C3H8N2O4S2 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-[2-(sulfanylsulfamoyl)ethoxy]formamide.

Molecular Properties

Compound NameN-[2-(sulfanylsulfamoyl)ethoxy]formamide
PubChem CID170197818
Molecular FormulaC3H8N2O4S2
Molecular Weight200.24 g/mol
Exact Mass199.99
IUPAC NameN-[2-(sulfanylsulfamoyl)ethoxy]formamide
SMILESO=CNOCCS(=O)(=O)NS
InChIInChI=1S/C3H8N2O4S2/c6-3-4-9-1-2-11(7,8)5-10/h3,5,10H,1-2H2,(H,4,6)
InChIKeyWLDQWEFZDULQID-UHFFFAOYSA-N
XLogP-1.57
TPSA84.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(sulfanylsulfamoyl)ethoxy]formamide?
The IUPAC name of N-[2-(sulfanylsulfamoyl)ethoxy]formamide (CID 170197818) is N-[2-(sulfanylsulfamoyl)ethoxy]formamide.
What is the SMILES notation for N-[2-(sulfanylsulfamoyl)ethoxy]formamide?
The canonical SMILES for N-[2-(sulfanylsulfamoyl)ethoxy]formamide is O=CNOCCS(=O)(=O)NS.
What is the InChIKey of N-[2-(sulfanylsulfamoyl)ethoxy]formamide?
The InChIKey is WLDQWEFZDULQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O4S2/c6-3-4-9-1-2-11(7,8)5-10/h3,5,10H,1-2H2,(H,4,6).
What are the key properties of N-[2-(sulfanylsulfamoyl)ethoxy]formamide?
N-[2-(sulfanylsulfamoyl)ethoxy]formamide has a molecular weight of 200.24 g/mol, XLogP of -1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(sulfanylsulfamoyl)ethoxy]formamide is sourced from PubChem (CID 170197818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).